[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-18-10-5-8-14(18)16(20)21-12-15(19)17-9-11-22-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H,17,19)